SCHEMBL8971001

SCHEMBL8971001

CC(C)(C)c1cc(Nc2ccc(CC(O)=S)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.41
GAA P10253 9/20 0.41
ALDH1A1 P00352 9/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
CA2 P00918 2/20 0.38
HTT P42858 2/20 0.38
CA1 P00915 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
BLM P54132 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8971764 0.85 NR1H4 (0.49) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL10461817 0.80 GAA (0.56) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL8310748 0.79 ALDH1A1 (0.53) GSRGAAALDH1A1TDP1MEN1
SCHEMBL10366243 0.77 ALDH1A1 (0.50) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL8972254 0.77 NR1H4 (0.51) GAAALDH1A1TDP1KMT2ALMNA
SCHEMBL10464020 0.77 MAPT (0.54) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL18459329 0.77 CA2 (0.61) GSRGAAALDH1A1TDP1MEN1
SCHEMBL26373519 0.75 ALDH1A1 (0.53) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL9911752 0.75 GAA (0.51) GSRGAAALDH1A1MEN1KMT2A
SCHEMBL10463196 0.74 PTGS1 (0.56) GSRGAAALDH1A1TDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed